7-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide

C14H16ClNO3 — CID 109388515

IUPAC7-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(C)C(C)CO)oc2c(Cl)cccc12
InChIInChI=1S/C14H16ClNO3/c1-8(7-17)16(3)14(18)12-9(2)10-5-4-6-11(15)13(10)19-12/h4-6,8,17H,7H2,1-3H3
InChIKeyXUOGGYLIEUDWCN-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.85
Rot. Bonds3

About 7-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide

7-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 109388515) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is 7-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide
PubChem CID109388515
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name7-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(C)C(C)CO)oc2c(Cl)cccc12
InChIInChI=1S/C14H16ClNO3/c1-8(7-17)16(3)14(18)12-9(2)10-5-4-6-11(15)13(10)19-12/h4-6,8,17H,7H2,1-3H3
InChIKeyXUOGGYLIEUDWCN-UHFFFAOYSA-N
XLogP2.85
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 112548198
7-chloro-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 24542566
1-(7-chloro-3-methyl-1-benzofuran-2-yl)propan-1-one
CID 139929639
7-chloro-N-ethyl-3-methyl-1-benzofuran-2-carboxamide
CID 47100020
7-chloro-3-methyl-N-pentan-2-yl-1-benzofuran-2-carboxamide
CID 16546211
5-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 115869516
3-chloro-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 115869389
7-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 8011985
7-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 16546548
7-chloro-N,3-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 46436436
7-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 46593265
N-(2-amino-2-methylpropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119627028

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of 7-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide (CID 109388515) is 7-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)N(C)C(C)CO)oc2c(Cl)cccc12.
What is the InChIKey of 7-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is XUOGGYLIEUDWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3/c1-8(7-17)16(3)14(18)12-9(2)10-5-4-6-11(15)13(10)19-12/h4-6,8,17H,7H2,1-3H3.
What are the key properties of 7-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide?
7-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 281.74 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 109388515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).